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20614-71-5 | Benzothiazole, 2-pentyl- (6CI,8CI,9CI)
CAS No: 20614-71-5 Catalog No: AG00BLUG MDL No:
Product Description
Catalog Number:
AG00BLUG
Chemical Name:
Benzothiazole, 2-pentyl- (6CI,8CI,9CI)
CAS Number:
20614-71-5
IUPAC Name:
2-pentyl-1,3-benzothiazole
InChI:
InChI=1S/C12H15NS/c1-2-3-4-9-12-13-10-7-5-6-8-11(10)14-12/h5-8H,2-4,9H2,1H3
InChI Key:
HEDKBCKXJGJZQH-UHFFFAOYSA-N
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.093g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.319g/mol
Monoisotopic Mass:
205.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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